1-methyl-2-(propan-2-ylsulfanylmethyl)indol-5-ol

C13H17NOS — CID 117176891

IUPAC1-methyl-2-(propan-2-ylsulfanylmethyl)indol-5-ol
SMILESCC(C)SCc1cc2cc(O)ccc2n1C
InChIInChI=1S/C13H17NOS/c1-9(2)16-8-11-6-10-7-12(15)4-5-13(10)14(11)3/h4-7,9,15H,8H2,1-3H3
InChIKeyZSSYKQATGBCIFG-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.53
Rot. Bonds3

About 1-methyl-2-(propan-2-ylsulfanylmethyl)indol-5-ol

1-methyl-2-(propan-2-ylsulfanylmethyl)indol-5-ol (PubChem CID 117176891) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-methyl-2-(propan-2-ylsulfanylmethyl)indol-5-ol.

Molecular Properties

Compound Name1-methyl-2-(propan-2-ylsulfanylmethyl)indol-5-ol
PubChem CID117176891
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name1-methyl-2-(propan-2-ylsulfanylmethyl)indol-5-ol
SMILESCC(C)SCc1cc2cc(O)ccc2n1C
InChIInChI=1S/C13H17NOS/c1-9(2)16-8-11-6-10-7-12(15)4-5-13(10)14(11)3/h4-7,9,15H,8H2,1-3H3
InChIKeyZSSYKQATGBCIFG-UHFFFAOYSA-N
XLogP3.53
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-(propan-2-ylsulfonylmethyl)indol-5-ol
CID 117176675
2-(ethoxymethyl)-1-methylindol-5-ol
CID 117176887
1-methyl-2-[3-(methylamino)propyl]indol-5-ol
CID 117195354
2-[(cyclobutylamino)methyl]-1-methylindol-5-ol
CID 117176588
2-[(2-fluorophenoxy)methyl]-1-methylindol-5-ol
CID 117176717
2-(propan-2-ylsulfanylmethyl)-1-benzofuran-5-ol
CID 117175993
3-chloro-4-(propan-2-ylsulfanylmethyl)phenol
CID 117219843
3-amino-4-(propan-2-ylsulfanylmethyl)phenol
CID 117221430
1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indol-6-ol
CID 117179103
3-(5-bromo-1-methylindol-2-yl)-2-methylpropanoic acid
CID 117121644
1-methyl-2-(propan-2-yloxymethyl)indol-5-amine
CID 117176882
N-(diaminomethylidene)-5-hydroxy-1-methylindole-2-carboxamide
CID 15290313

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(propan-2-ylsulfanylmethyl)indol-5-ol?
The IUPAC name of 1-methyl-2-(propan-2-ylsulfanylmethyl)indol-5-ol (CID 117176891) is 1-methyl-2-(propan-2-ylsulfanylmethyl)indol-5-ol.
What is the SMILES notation for 1-methyl-2-(propan-2-ylsulfanylmethyl)indol-5-ol?
The canonical SMILES for 1-methyl-2-(propan-2-ylsulfanylmethyl)indol-5-ol is CC(C)SCc1cc2cc(O)ccc2n1C.
What is the InChIKey of 1-methyl-2-(propan-2-ylsulfanylmethyl)indol-5-ol?
The InChIKey is ZSSYKQATGBCIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-9(2)16-8-11-6-10-7-12(15)4-5-13(10)14(11)3/h4-7,9,15H,8H2,1-3H3.
What are the key properties of 1-methyl-2-(propan-2-ylsulfanylmethyl)indol-5-ol?
1-methyl-2-(propan-2-ylsulfanylmethyl)indol-5-ol has a molecular weight of 235.35 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(propan-2-ylsulfanylmethyl)indol-5-ol is sourced from PubChem (CID 117176891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).